SCHEMBL6364894

SCHEMBL6364894

CC[C](CC)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.49
ASAH1 Q13510 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
DRD3 P35462 1/20 0.43
CASP3 P42574 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GLS O94925 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7335823 0.81 CES1 (0.66) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL28380606 0.76 ALDH1A1 (0.49) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL11000823 0.75 ALDH1A1 (0.47) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL6553580 0.75 ALDH1A1 (0.50) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL21855119 0.74 CA12 (0.52) CES1ASAH1ALDH1A1KDM4ECA12
SCHEMBL74973 0.74 L3MBTL1 (0.55) CES1ASAH1ALDH1A1HTTCA12
SCHEMBL5058935 0.74 CES1 (0.68) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL31241181 0.74 L3MBTL1 (0.55) CES1ASAH1ALDH1A1HTTCA12
SCHEMBL19543213 0.74 CES1 (0.57) CES1ASAH1ALDH1A1KDM4EHTT
SCHEMBL887161 0.73 CES1 (0.62) CES1ASAH1ALDH1A1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858070-B1 Phase change inks XEROX CORPORATION (US) 2005-02-22 US disclosed